SCHEMBL13876008

SCHEMBL13876008

CC(C)(C)C(=O)c1ccnc(Oc2ccncc2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.41
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAF1 P04049 4/20 0.37
KDR P35968 1/20 0.37
LOX P28300 3/20 0.37
HSD17B10 Q99714 1/20 0.37
RIPK2 O43353 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK13 O15264 2/20 0.35
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13875986 0.86 LOXL2 (0.42) LOXL2KMT2AKDRLOXMAPK8
SCHEMBL13876010 0.83 GRM5 (0.50) KMT2ALMNASMN1; SMN2
SCHEMBL13876045 0.83 EPHX2 (0.43) LOXL2KMT2ARAF1LMNASMN1; SMN2
SCHEMBL13875994 0.82 PARP15 (0.43) LOXL2KMT2ALMNA
SCHEMBL13875998 0.82 LOXL2 (0.40) LOXL2KDRLOX
SCHEMBL13875972 0.80 KCNK3 (0.48) LOXL2LOXLMNASMN1; SMN2
SCHEMBL13876011 0.79 KDM4E (0.42) LMNACYP1A2
SCHEMBL13890745 0.79 LOXL2 (0.41) LOXL2KMT2ANPSR1KDRLOX
SCHEMBL13875942 0.79 LMNA (0.45) LMNA
SCHEMBL13876048 0.78 ABL1 (0.43) LOXL2KDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors EPHX1, EPHX2, NCEH1 LOXL2 434/4885KMT2A 2076/4885NPSR1 3235/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.